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Compound InformationSONAR Target prediction
Name:

BETAMETHASONE VALERATE

Unique Identifier:SPE01500145
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:439.284 g/mol
X log p:4.049  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:7
Canonical Smiles:CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)C(=O)CO
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: KAP123
Replicates: 2
Raw OD Value: r im 0.5482±0.00176777
Normalized OD Score: sc h 0.9820±0.0000749976
Z-Score: -0.7205±0.0578386
p-Value: 0.471602
Z-Factor: -36.9076
Fitness Defect: 0.7516
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-11-09 YYYY-MM-DD
Plate CH Control (+):0.040775000000000006±0.00165
Plate DMSO Control (-):0.544575±0.09649
Plate Z-Factor:0.3951
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DBLink | Rows returned: 132 3 Next >> 
16533 [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8
,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
63045 [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8
,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
63047 [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8
,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
93007 [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8
,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
171259 [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11
,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
578771 [9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclope
nta[a]phenanthren-17-yl] pentanoate

internal high similarity DBLink | Rows returned: 3
SPE01500300 0.9238
SPE01500231 0.9694
SPE01503210 0.9899

active | Cluster 9739 | Additional Members: 15 | Rows returned: 1
Prest25 0.376470588235294

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